4OJG
The crystal structure of V84D mutant of S. solfataricus acylphosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-14 |
| Detector | PILATUS 6M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.411, 45.582, 103.739 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.731 - 1.377 |
| R-factor | 0.1673 |
| Rwork | 0.165 |
| R-free | 0.19760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oj3 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.662 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.870 | 1.450 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.049 | |
| Number of reflections | 35201 | |
| <I/σ(I)> | 17.6 | 2.1 |
| Completeness [%] | 98.7 | 91.8 |
| Redundancy | 6.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M imidazole malate, 25% PEG 4000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
